X5J522_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J522, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1V93.9Very high97.1Very high81 Ų8167.7 Ų67.749%0.49140%0.396SS..  0158.20-65.90000109.9A5 V7 L75 V105 T106 V107 S108V1-A5 HydrophobicContact CB-CB 4.29Å; V1-V7 HydrophobicContact CB-CG1 4.38Å; V1-V7 HydrophobicContact CG1-CG1 3.72Å; V1-V7 HydrophobicContact CG2-CG1 4Å; V1-L75 HydrophobicContact CG2-CD1 3.48Å; V1-L75 VanDerWaalsContact CG2-CD1 3.48Å; V1-V105 HydrophobicContact CG2-CG1 4.43Å; V1-T106 PolarHBondContact N-O 3.39Å; V1-V107 HydrophobicContact CG2-CG2 3.97Å; V1-V107 VanDerWaalsContact O-CA 3.27Å; V1-V107 WeakPolarHBondContact O-CA 3.37Å; V1-S108 PolarHBondContact O-N 2.62Å
2R95.6Very high97.1Very high183 Ų18369.9 Ų69.969%0.69141%0.411SS*.  trans-80.8154.5178.4-71.3-176.7177.4167.43.4111.5A5R2-A5 WeakPolarHBondContact O-CB 3.32Å; R2-A5 PolarHBondContact O-N 3.04Å
3P97.1Very high96.9Very high78 Ų7865.3 Ų65.351%0.50639%0.386SS..THydrogen-bonded Turntrans-53.1142.5169.8-25.234.4000112A5 L75 V107P3-A5 VanDerWaalsContact C-N 3.26Å; P3-A5 PolarHBondContact O-N 3.11Å; P3-L75 CarbonylContact C-O 3.52Å; P3-L75 WeakPolarHBondContact CA-O 3.37Å; P3-V107 HydrophobicContact CG-CG1 4.19Å
4G96.1Very high96.6Very high54 Ų5468.4 Ų68.456%0.55741%0.412SS*.THydrogen-bonded Turntrans83.5-14.2-176.100000114.9L75G4-L75 PolarHBondContact N-O 2.86Å
5A97.3Very high96.2Very high36 Ų3669.7 Ų69.730%0.29845%0.445SS..  trans-69.6164.3175.900000112.1V1 R2 P3 S74 L75V1-A5 HydrophobicContact CB-CB 4.29Å; R2-A5 WeakPolarHBondContact O-CB 3.32Å; R2-A5 PolarHBondContact O-N 3.04Å; P3-A5 VanDerWaalsContact C-N 3.26Å; P3-A5 PolarHBondContact O-N 3.11Å; A5-S74 PolarHBondContact O-N 3.14Å; A5-L75 WeakPolarHBondContact O-CB 3.38Å; A5-L75 VanDerWaalsContact O-CG 3.23Å; A5-L75 WeakPolarHBondContact O-CG 3.15Å; A5-L75 PolarHBondContact O-N 2.76Å
6S97.8Very high95.8Very high64 Ų6468.7 Ų68.745%0.44843%0.432SS..  trans-112.2149.5169-57.10000110.6L72 S73S6-L72 CarbonylContact C-O 3.39Å; S6-L72 WeakPolarHBondContact CA-O 3.31Å; S6-L72 WeakPolarHBondContact CB-O 3.29Å; S6-S73 WeakPolarHBondContact OG-CA 3.36Å; S6-S73 PolarHBondContact OG-OG 3.09Å
7V97.9Very high95.7Very high24 Ų2468.8 Ų68.815%0.14543%0.429CS..EExtended strand (participates in β ladder)trans-128.2150171.9-63.10000110V1 L9 Q71 L72 L75 V105V1-V7 HydrophobicContact CB-CG1 4.38Å; V1-V7 HydrophobicContact CG1-CG1 3.72Å; V1-V7 HydrophobicContact CG2-CG1 4Å; V7-L9 HydrophobicContact CG2-CD2 4.47Å; V7-Q71 CarbonylContact O-C 3.58Å; V7-Q71 VanDerWaalsContact O-CA 3.31Å; V7-Q71 WeakPolarHBondContact O-CA 3.48Å; V7-L72 HydrophobicContact CG2-CB 4.06Å; V7-L72 HydrophobicContact CG2-CD1 4.27Å; V7-L72 PolarHBondContact N-O 3.23Å; V7-L72 PolarHBondContact O-N 2.71Å; V7-L75 HydrophobicContact CB-CD1 4.3Å; V7-L75 HydrophobicContact CG1-CD1 3.69Å; V7-L75 HydrophobicContact CG2-CD1 3.89Å; V7-V105 HydrophobicContact CG2-CG1 4.4Å; V7-V105 HydrophobicContact CG2-CG2 4.45Å
8K98.3Very high95.6Very high124 Ų12464.9 Ų64.954%0.53941%0.405SS..EExtended strand (participates in β ladder)trans-120.2117.9171.9-173.6177.3179.5-177.40108.6Y69 L70K8-Y69 HydrophobicContact CD-CD1 4.4Å; K8-Y69 VanDerWaalsContact CE-CG 3.47Å; K8-Y69 HydrophobicContact CG-CD1 4.41Å; K8-L70 WeakPolarHBondContact CA-O 3.47Å
9L98.4Very high95.5Very high14 Ų1465.8 Ų65.87%0.07340%0.402CS..EExtended strand (participates in β ladder)trans-96.2148.5175.1-51.8-176.5000108.9V7 W25 Y69 L70 Y83 T103 V105V7-L9 HydrophobicContact CG2-CD2 4.47Å; L9-W25 HydrophobicContact CB-CH2 3.94Å; L9-W25 HydrophobicContact CB-CZ3 3.93Å; L9-W25 HydrophobicContact CD1-CZ3 4.34Å; L9-Y69 CarbonylContact O-C 3.59Å; L9-Y69 WeakPolarHBondContact O-CA 3.24Å; L9-L70 HydrophobicContact CB-CB 4.46Å; L9-L70 HydrophobicContact CD1-CD2 4.35Å; L9-L70 PolarHBondContact N-O 2.79Å; L9-L70 PolarHBondContact O-N 2.92Å; L9-Y83 VanDerWaalsContact CD1-CB 3.44Å; L9-Y83 HydrophobicContact CD1-CD1 4.25Å; L9-Y83 HydrophobicContact CD1-CD2 4.27Å; L9-Y83 HydrophobicContact CD1-CG 3.74Å; L9-T103 HydrophobicContact CD2-CG2 3.96Å; L9-V105 HydrophobicContact CD1-CG2 4.25Å; L9-V105 HydrophobicContact CD2-CG2 3.95Å
10S98.1Very high95.4Very high71 Ų7166.1 Ų66.150%0.49740%0.401SS..EExtended strand (participates in β ladder)trans-122.9149.4175.457.70000110.8A68S10-A68 CarbonylContact C-O 3.52Å; S10-A68 WeakPolarHBondContact CA-O 3.39Å
11C97.7Very high95.2Very high16 Ų1665.4 Ų65.411%0.10839%0.392CS..EExtended strand (participates in β ladder)trans-139106.4175.4178.40000109W25 T67 A68 C85C11-W25 HydrophobicContact CB-CH2 3.81Å; C11-W25 HydrophobicContact CB-CZ2 3.92Å; C11-T67 CarbonylContact O-C 3.48Å; C11-T67 WeakPolarHBondContact O-CA 3.22Å; C11-A68 PolarHBondContact N-O 3.31Å; C11-A68 PolarHBondContact O-N 3.08Å; C11-C85 HydrophobicContact CB-CB 3.45Å; C11-C85 VanDerWaalsContact CB-CB 3.45Å; C11-C85 WeakPolarHBondContact CB-SG 3.2Å; C11-C85 WeakPolarHBondContact SG-CB 3.47Å; C11-C85 CovalentContact SG-SG 2.02Å; C11-C85 PolarHBondContact SG-SG 3.23Å
12T97.3Very high95.3Very high94 Ų9464.6 Ų64.658%0.57738%0.38SS*.EExtended strand (participates in β ladder)trans-92.6120.5-179.7-56.10000109.6T67T12-T67 PolarHBondContact OG1-OG1 2.89Å
13A93.6Very high95.3Very high10 Ų1056 Ų568%0.08335%0.348CS..  trans-73.6140.817500000110.4F16 I18 N66A13-F16 HydrophobicContact CB-CD2 4.15Å; A13-F16 HydrophobicContact CB-CE1 3.92Å; A13-F16 HydrophobicContact CB-CE2 3.48Å; A13-F16 VanDerWaalsContact CB-CE2 3.48Å; A13-F16 HydrophobicContact CB-CZ 3.35Å; A13-I18 HydrophobicContact CB-CB 4.06Å; A13-I18 HydrophobicContact CB-CD1 4.12Å; A13-I18 HydrophobicContact CB-CG1 3.99Å; A13-N66 VanDerWaalsContact CB-ND2 3.34Å; A13-N66 WeakPolarHBondContact CB-ND2 3.25Å; A13-N66 PolarHBondContact N-O 3.49Å; A13-N66 PolarHBondContact O-ND2 3.28Å
14S92.7Very high95.3Very high109 Ų10953 Ų5376%0.76233%0.327SS*.  trans-135.7137.9178.2-176.80000109.7F16S14-F16 VanDerWaalsContact C-N 3.29Å; S14-F16 WeakPolarHBondContact O-CD1 3.44Å; S14-F16 PolarHBondContact O-N 2.75Å
15G91.1Very high95.4Very high88 Ų8850.7 Ų50.791%0.90730%0.302SS*.SBendtrans81.20.2-17800000115.3
16F89.6Confident95.5Very high53 Ų5349.2 Ų49.223%0.23229%0.289CS..SBendtrans-151.1159.917463.6-86.5000111.2A13 S14 Y21 M23 N66 P87A13-F16 HydrophobicContact CB-CD2 4.15Å; A13-F16 HydrophobicContact CB-CE1 3.92Å; A13-F16 HydrophobicContact CB-CE2 3.48Å; A13-F16 VanDerWaalsContact CB-CE2 3.48Å; A13-F16 HydrophobicContact CB-CZ 3.35Å; S14-F16 VanDerWaalsContact C-N 3.29Å; S14-F16 WeakPolarHBondContact O-CD1 3.44Å; S14-F16 PolarHBondContact O-N 2.75Å; F16-Y21 HydrophobicContact CB-CE2 3.8Å; F16-Y21 AromaticContact CD2-CD2 3.38Å; F16-Y21 HydrophobicContact CD2-CD2 3.38Å; F16-Y21 AromaticContact CD2-CE2 3.42Å; F16-Y21 HydrophobicContact CD2-CE2 3.42Å; F16-Y21 VanDerWaalsContact CD2-CE2 3.42Å; F16-Y21 HydrophobicContact CD2-CG 4.06Å; F16-Y21 AromaticContact CE2-CD2 3.83Å; F16-Y21 HydrophobicContact CE2-CD2 3.83Å; F16-Y21 HydrophobicContact CE2-CE2 4.23Å; F16-Y21 HydrophobicContact CE2-CG 4.06Å; F16-Y21 HydrophobicContact CG-CD2 4.27Å; F16-Y21 AromaticContact CG-CE2 3.86Å; F16-Y21 HydrophobicContact CG-CE2 3.86Å; F16-M23 HydrophobicContact CE2-SD 4.48Å; F16-N66 PolarHBondContact O-ND2 3.12Å; F16-P87 HydrophobicContact CE1-CG 4.31Å; F16-P87 HydrophobicContact CE2-CB 4.1Å; F16-P87 HydrophobicContact CZ-CB 3.87Å; F16-P87 HydrophobicContact CZ-CG 3.83Å
17N93.6Very high95.4Very high70 Ų7046.2 Ų46.237%0.37427%0.268SS..  trans-82.4121.1171.9175.611.6000109.2K19 D20 Y21N17-K19 PolarHBondContact O-N 2.79Å; N17-K19 VanDerWaalsContact O-N 3.15Å; N17-K19 PolarHBondContact OD1-N 2.8Å; N17-D20 WeakPolarHBondContact CB-OD2 3.42Å; N17-D20 PolarHBondContact O-N 2.92Å; N17-D20 VanDerWaalsContact O-N 3.12Å; N17-Y21 WeakPolarHBondContact O-CD2 3.32Å
18I94.4Very high95.4Very high0 Ų048.4 Ų48.40%028%0.276CS..G310 helixtrans-63.1-22.3-175.4-153.5175.5000112.3A13 D20 Y21 M23 P42 T63 N66 A68A13-I18 HydrophobicContact CB-CB 4.06Å; A13-I18 HydrophobicContact CB-CD1 4.12Å; A13-I18 HydrophobicContact CB-CG1 3.99Å; I18-D20 PolarHBondContact O-N 2.92Å; I18-Y21 PolarHBondContact O-N 3.07Å; I18-M23 HydrophobicContact CD1-CG 3.79Å; I18-M23 HydrophobicContact CD1-SD 4.15Å; I18-M23 HydrophobicContact CG1-CG 3.62Å; I18-M23 HydrophobicContact CG1-SD 3.78Å; I18-P42 HydrophobicContact CD1-CG 4.5Å; I18-P42 HydrophobicContact CG1-CB 4.4Å; I18-P42 HydrophobicContact CG1-CG 3.99Å; I18-P42 HydrophobicContact CG2-CB 4.02Å; I18-P42 VanDerWaalsContact O-CG 3.32Å; I18-P42 WeakPolarHBondContact O-CG 3.4Å; I18-T63 HydrophobicContact CG2-CG2 4.27Å; I18-N66 WeakPolarHBondContact CB-OD1 3.24Å; I18-N66 VanDerWaalsContact CG2-OD1 3.26Å; I18-N66 WeakPolarHBondContact CG2-OD1 3.48Å; I18-N66 PolarHBondContact N-OD1 2.88Å; I18-A68 HydrophobicContact CD1-CB 4Å
19K94.6Very high95.1Very high81 Ų8143.8 Ų43.835%0.35226%0.256SS..G310 helixtrans-66.5-17.9176.5-67.9-170.7178.5-167.30114.1N17 Y21 T63 Y90N17-K19 PolarHBondContact O-N 2.79Å; N17-K19 VanDerWaalsContact O-N 3.15Å; N17-K19 PolarHBondContact OD1-N 2.8Å; K19-Y21 VanDerWaalsContact C-N 3.3Å; K19-T63 HydrophobicContact CD-CG2 4.15Å; K19-T63 WeakPolarHBondContact CE-OG1 3.29Å; K19-T63 HydrophobicContact CG-CG2 3.54Å; K19-Y90 WeakPolarHBondContact O-CE2 3.26Å; K19-Y90 PolarHBondContact O-OH 2.92Å; K19-Y90 VanDerWaalsContact O-OH 3.13Å
20D92.3Very high94.3Very high71 Ų7149 Ų4938%0.3829%0.29SS..G310 helixtrans-939.3-177.1-52.9-37.1000112.2N17 I18 Y89 Y90N17-D20 WeakPolarHBondContact CB-OD2 3.42Å; N17-D20 PolarHBondContact O-N 2.92Å; N17-D20 VanDerWaalsContact O-N 3.12Å; I18-D20 PolarHBondContact O-N 2.92Å; D20-Y89 HydrophobicContact CB-CE2 4.29Å; D20-Y89 WeakPolarHBondContact O-CD2 3.47Å; D20-Y90 WeakPolarHBondContact O-CD2 3.44Å
21Y92.6Very high93.6Very high52 Ų5254.8 Ų54.820%0.20431%0.31CS..EExtended strand (participates in β ladder)trans-143.8143.4-169.5-66.4-100.3000112.6F16 N17 I18 K19 P42 P87 S88 Y89 Y90F16-Y21 HydrophobicContact CB-CE2 3.8Å; F16-Y21 AromaticContact CD2-CD2 3.38Å; F16-Y21 HydrophobicContact CD2-CD2 3.38Å; F16-Y21 AromaticContact CD2-CE2 3.42Å; F16-Y21 HydrophobicContact CD2-CE2 3.42Å; F16-Y21 VanDerWaalsContact CD2-CE2 3.42Å; F16-Y21 HydrophobicContact CD2-CG 4.06Å; F16-Y21 AromaticContact CE2-CD2 3.83Å; F16-Y21 HydrophobicContact CE2-CD2 3.83Å; F16-Y21 HydrophobicContact CE2-CE2 4.23Å; F16-Y21 HydrophobicContact CE2-CG 4.06Å; F16-Y21 HydrophobicContact CG-CD2 4.27Å; F16-Y21 AromaticContact CG-CE2 3.86Å; F16-Y21 HydrophobicContact CG-CE2 3.86Å; N17-Y21 WeakPolarHBondContact O-CD2 3.32Å; I18-Y21 PolarHBondContact O-N 3.07Å; K19-Y21 VanDerWaalsContact C-N 3.3Å; Y21-P42 WeakPolarHBondContact O-CD 3.41Å; Y21-P87 HydrophobicContact CD1-CB 3.75Å; Y21-P87 HydrophobicContact CE1-CB 4.49Å; Y21-P87 HydrophobicContact CG-CB 4.12Å; Y21-S88 CarbonylContact C-O 3.53Å; Y21-S88 VanDerWaalsContact CA-O 3.24Å; Y21-S88 WeakPolarHBondContact CA-O 3.2Å; Y21-S88 WeakPolarHBondContact CB-O 3.32Å; Y21-S88 WeakPolarHBondContact CD1-O 3.34Å; Y21-Y89 AromaticContact CD1-CD2 3.95Å; Y21-Y89 HydrophobicContact CD1-CD2 3.95Å; Y21-Y89 HydrophobicContact CD2-CD2 4.42Å; Y21-Y89 AromaticContact CE1-CD2 3.49Å; Y21-Y89 HydrophobicContact CE1-CD2 3.49Å; Y21-Y89 VanDerWaalsContact CE1-CD2 3.49Å; Y21-Y89 HydrophobicContact CE1-CE2 4.38Å; Y21-Y89 HydrophobicContact CE1-CG 4.28Å; Y21-Y89 AromaticContact CE2-CD2 3.97Å; Y21-Y89 HydrophobicContact CE2-CD2 3.97Å; Y21-Y89 HydrophobicContact CE2-CE2 4.13Å; Y21-Y89 HydrophobicContact CG-CD2 4.4Å; Y21-Y89 AromaticContact CZ-CD2 3.48Å; Y21-Y89 VanDerWaalsContact CZ-CD2 3.48Å; Y21-Y89 AromaticContact CZ-CE2 3.92Å; Y21-Y90 PolarHBondContact O-OH 3.29Å
22Y95Very high93Very high65 Ų6561 Ų6126%0.25533%0.331SS..EExtended strand (participates in β ladder)trans-72.6133.7160.2-64.6-56.4000109.7H24 I40 D41 P87 S88 Y90Y22-H24 PolarHBondContact O-CD2 2.7Å; Y22-I40 WeakPolarHBondContact CA-O 3.27Å; Y22-D41 HydrophobicContact CD1-CB 3.88Å; Y22-D41 HydrophobicContact CE1-CB 3.69Å; Y22-D41 WeakPolarHBondContact CE1-OD2 3.47Å; Y22-P87 CarbonylContact O-C 3.58Å; Y22-P87 VanDerWaalsContact O-CA 3.28Å; Y22-P87 WeakPolarHBondContact O-CA 3.33Å; Y22-S88 PolarHBondContact N-O 2.8Å; Y22-S88 PolarHBondContact O-N 2.82Å; Y22-Y90 HydrophobicContact CD1-CD1 4.14Å; Y22-Y90 AromaticContact CD1-CE1 3.46Å; Y22-Y90 HydrophobicContact CD1-CE1 3.46Å; Y22-Y90 VanDerWaalsContact CD1-CE1 3.46Å; Y22-Y90 AromaticContact CD2-CD1 3.66Å; Y22-Y90 HydrophobicContact CD2-CD1 3.66Å; Y22-Y90 AromaticContact CD2-CE1 3.81Å; Y22-Y90 HydrophobicContact CD2-CE1 3.81Å; Y22-Y90 AromaticContact CE1-CD1 3.86Å; Y22-Y90 HydrophobicContact CE1-CD1 3.86Å; Y22-Y90 AromaticContact CE1-CE1 3.35Å; Y22-Y90 HydrophobicContact CE1-CE1 3.35Å; Y22-Y90 AromaticContact CE2-CD1 3.42Å; Y22-Y90 HydrophobicContact CE2-CD1 3.42Å; Y22-Y90 VanDerWaalsContact CE2-CD1 3.42Å; Y22-Y90 AromaticContact CE2-CE1 3.78Å; Y22-Y90 HydrophobicContact CE2-CE1 3.78Å; Y22-Y90 HydrophobicContact CG-CD1 4.01Å; Y22-Y90 AromaticContact CG-CE1 3.63Å; Y22-Y90 HydrophobicContact CG-CE1 3.63Å; Y22-Y90 AromaticContact CZ-CD1 3.48Å; Y22-Y90 VanDerWaalsContact CZ-CD1 3.48Å; Y22-Y90 AromaticContact CZ-CE1 3.52Å; Y22-Y90 VanDerWaalsContact N-CE1 3.28Å
23M96.4Very high92.6Very high3 Ų359 Ų592%0.01533%0.33CS..EExtended strand (participates in β ladder)trans-100.6111.1173.7-66.7-58.1-55.200109.7F16 I18 R39 I40 P42 A68 C85 P87F16-M23 HydrophobicContact CE2-SD 4.48Å; I18-M23 HydrophobicContact CD1-CG 3.79Å; I18-M23 HydrophobicContact CD1-SD 4.15Å; I18-M23 HydrophobicContact CG1-CG 3.62Å; I18-M23 HydrophobicContact CG1-SD 3.78Å; M23-R39 CarbonylContact O-C 3.53Å; M23-R39 VanDerWaalsContact O-CA 3.29Å; M23-R39 WeakPolarHBondContact O-CA 3.42Å; M23-I40 HydrophobicContact CB-CG2 3.87Å; M23-I40 PolarHBondContact N-O 2.78Å; M23-I40 PolarHBondContact O-N 2.98Å; M23-P42 HydrophobicContact CB-CG 4.45Å; M23-P42 HydrophobicContact CG-CG 3.8Å; M23-A68 HydrophobicContact CB-CB 3.92Å; M23-A68 HydrophobicContact CG-CB 4.03Å; M23-C85 HydrophobicContact CE-CB 4.48Å; M23-P87 HydrophobicContact SD-CB 3.82Å
24H97.2Very high92.6Very high15 Ų1563.1 Ų63.17%0.06935%0.35CS..EExtended strand (participates in β ladder)trans-94.6148180-60.2-107.6000111Y22 W36 G38 C85 T86 S88 F96Y22-H24 PolarHBondContact O-CD2 2.7Å; H24-W36 AromaticContact CG-NE1 3.95Å; H24-W36 AromaticContact ND1-CE2 3.95Å; H24-W36 AromaticContact ND1-NE1 3.25Å; H24-W36 PolarHBondContact ND1-NE1 2.82Å; H24-G38 WeakPolarHBondContact CA-O 3.48Å; H24-C85 VanDerWaalsContact O-CA 3.24Å; H24-C85 WeakPolarHBondContact O-CA 3.41Å; H24-T86 HydrophobicContact CB-CG2 4.03Å; H24-T86 WeakPolarHBondContact CB-O 3.34Å; H24-T86 PolarHBondContact N-O 2.84Å; H24-T86 PolarHBondContact O-N 2.9Å; H24-S88 PolarHBondContact NE2-OG 2.85Å; H24-F96 HydrophobicContact CB-CE1 3.56Å; H24-F96 HydrophobicContact CB-CZ 4.12Å; H24-F96 AromaticContact CE1-CZ 3.82Å; H24-F96 AromaticContact CG-CE1 3.54Å; H24-F96 AromaticContact CG-CZ 3.66Å; H24-F96 AromaticContact ND1-CE1 3.83Å; H24-F96 AromaticContact ND1-CZ 3.44Å; H24-F96 WeakPolarHBondContact ND1-CZ 3.32Å
25W98.2Very high92.8Very high5 Ų559.4 Ų59.42%0.01932%0.32CS..EExtended strand (participates in β ladder)trans-117.4138.4172.8-71.190.9000110.9L9 C11 I37 G38 M59 A68 L70 Y84 C85L9-W25 HydrophobicContact CB-CH2 3.94Å; L9-W25 HydrophobicContact CB-CZ3 3.93Å; L9-W25 HydrophobicContact CD1-CZ3 4.34Å; C11-W25 HydrophobicContact CB-CH2 3.81Å; C11-W25 HydrophobicContact CB-CZ2 3.92Å; W25-I37 HydrophobicContact CB-CB 4.06Å; W25-I37 HydrophobicContact CB-CD1 4.12Å; W25-I37 HydrophobicContact CB-CG2 4.46Å; W25-I37 WeakPolarHBondContact O-CB 3.23Å; W25-I37 PolarHBondContact O-N 3.06Å; W25-G38 PolarHBondContact N-O 3.05Å; W25-M59 HydrophobicContact CB-SD 4.47Å; W25-M59 VanDerWaalsContact CD1-SD 3.54Å; W25-M59 HydrophobicContact CG-SD 4.32Å; W25-A68 HydrophobicContact CZ2-CB 4.48Å; W25-L70 HydrophobicContact CB-CD2 4.09Å; W25-L70 HydrophobicContact CD2-CB 3.46Å; W25-L70 VanDerWaalsContact CD2-CB 3.46Å; W25-L70 HydrophobicContact CD2-CD2 3.81Å; W25-L70 HydrophobicContact CD2-CG 4.18Å; W25-L70 VanDerWaalsContact CE2-CB 3.45Å; W25-L70 HydrophobicContact CE3-CB 3.69Å; W25-L70 HydrophobicContact CE3-CD2 3.61Å; W25-L70 HydrophobicContact CE3-CG 4.29Å; W25-L70 HydrophobicContact CG-CB 4Å; W25-L70 HydrophobicContact CG-CD2 4.03Å; W25-L70 HydrophobicContact CG-CG 4.41Å; W25-L70 HydrophobicContact CH2-CB 3.91Å; W25-L70 HydrophobicContact CZ2-CB 3.69Å; W25-L70 HydrophobicContact CZ3-CB 3.91Å; W25-L70 HydrophobicContact CZ3-CD2 4.29Å; W25-Y84 WeakPolarHBondContact CA-O 3.41Å; W25-C85 HydrophobicContact CD2-CB 4.37Å; W25-C85 HydrophobicContact CE3-CB 4.2Å; W25-C85 HydrophobicContact CH2-CB 4.3Å; W25-C85 HydrophobicContact CZ2-CB 4.44Å; W25-C85 HydrophobicContact CZ3-CB 4.17Å
26V97.8Very high93.1Very high5 Ų559 Ų593%0.0329%0.291CS..EExtended strand (participates in β ladder)trans-138136.5-174.8-1770000109.9L34 E35 Y83 Y84 T86 W99V26-L34 HydrophobicContact CG1-CB 3.79Å; V26-L34 HydrophobicContact CG1-CD2 3.85Å; V26-L34 HydrophobicContact CG1-CG 4.3Å; V26-E35 WeakPolarHBondContact CA-O 3.07Å; V26-Y83 CarbonylContact O-C 3.52Å; V26-Y83 WeakPolarHBondContact O-CA 3.34Å; V26-Y84 PolarHBondContact N-O 2.81Å; V26-Y84 PolarHBondContact O-N 2.86Å; V26-T86 HydrophobicContact CG2-CG2 4.31Å; V26-W99 HydrophobicContact CB-CH2 4.05Å; V26-W99 HydrophobicContact CB-CZ3 3.77Å; V26-W99 HydrophobicContact CG1-CH2 4.02Å; V26-W99 HydrophobicContact CG1-CZ3 3.96Å; V26-W99 HydrophobicContact CG2-CH2 3.75Å; V26-W99 HydrophobicContact CG2-CZ3 3.87Å
27K97.5Very high93.5Very high1 Ų156.5 Ų56.50%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-105.1131.8176179.8179.8-179.2175.80109.9E35 I37 F53 E78 D79 A81 Y83K27-E35 HydrophobicContact CB-CB 4.33Å; K27-E35 PolarHBondContact N-O 3.46Å; K27-E35 PolarHBondContact O-N 2.57Å; K27-I37 HydrophobicContact CB-CD1 4.04Å; K27-I37 HydrophobicContact CB-CG1 4.17Å; K27-F53 HydrophobicContact CB-CZ 4.37Å; K27-F53 HydrophobicContact CD-CE1 3.97Å; K27-F53 HydrophobicContact CD-CZ 3.99Å; K27-E78 WeakPolarHBondContact CE-O 3.37Å; K27-E78 PolarHBondContact NZ-O 2.97Å; K27-D79 IonicContact NZ-OD1 3.7Å; K27-D79 PolarHBondContact NZ-OD1 2.95Å; K27-A81 HydrophobicContact CD-CB 4.15Å; K27-A81 HydrophobicContact CG-CB 3.51Å; K27-Y83 HydrophobicContact CB-CD1 4.22Å; K27-Y83 HydrophobicContact CB-CE1 3.96Å; K27-Y83 HydrophobicContact CD-CE1 4Å; K27-Y83 WeakPolarHBondContact CE-OH 3.36Å; K27-Y83 HydrophobicContact CG-CD1 4.42Å; K27-Y83 HydrophobicContact CG-CE1 3.86Å
28Q96.7Very high93.7Very high69 Ų6953.2 Ų53.232%0.32226%0.262SS..EExtended strand (participates in β ladder)trans-118.7117.4171.7-168.5-177.727.600109.8L34 A81 V82 Y84Q28-L34 HydrophobicContact CB-CD2 3.8Å; Q28-L34 HydrophobicContact CG-CD2 3.91Å; Q28-A81 WeakPolarHBondContact O-CA 3.34Å; Q28-A81 VanDerWaalsContact O-CB 3.22Å; Q28-A81 WeakPolarHBondContact O-CB 3.39Å; Q28-V82 PolarHBondContact N-O 2.6Å; Q28-V82 PolarHBondContact O-N 3.23Å; Q28-Y84 HydrophobicContact CB-CD2 4.34Å; Q28-Y84 HydrophobicContact CB-CE2 3.69Å; Q28-Y84 VanDerWaalsContact OE1-CE2 3.26Å; Q28-Y84 PolarHBondContact OE1-OH 3.05Å
29R92.4Very high93.8Very high27 Ų2754.9 Ų54.910%0.10227%0.269CS..  trans-86.7148.8171-50.8-168.9-164.6-157.8-11.6109.1E31 R32 E35 K52 E78 A81R29-E31 PolarHBondContact O-N 3.5Å; R29-R32 HydrophobicContact CB-CB 4.05Å; R29-R32 HydrophobicContact CB-CG 4.36Å; R29-R32 PolarHBondContact O-N 3.06Å; R29-R32 VanDerWaalsContact O-N 3.11Å; R29-E35 IonicContact CZ-OE1 3.17Å; R29-E35 IonicContact NE-OE1 2.83Å; R29-E35 PolarHBondContact NE-OE1 2.83Å; R29-E35 VanDerWaalsContact NE-OE1 3.08Å; R29-E35 IonicContact NH2-OE1 2.57Å; R29-E35 IonicContact NH2-OE2 3.49Å; R29-K52 VanDerWaalsContact NH2-NZ 3.19Å; R29-E78 IonicContact CZ-OE2 2.71Å; R29-E78 IonicContact NH1-OE2 3.31Å; R29-E78 PolarHBondContact NH1-OE2 3.45Å; R29-E78 IonicContact NH2-OE2 3.89Å; R29-E78 PolarHBondContact NH2-OE2 3.17Å; R29-A81 HydrophobicContact CG-CB 4.43Å
30P82Confident93.9Very high123 Ų12351.2 Ų51.280%0.79925%0.253SS*.THydrogen-bonded Turntrans-53.1-30.9180-2835000114.7
31E83.4Confident94.2Very high194 Ų19448.3 Ų48.391%0.90724%0.238SC*.THydrogen-bonded Turntrans-1138.3-177-58.3-172178.700113.8R29R29-E31 PolarHBondContact O-N 3.5Å
32R83.9Confident94.4Very high145 Ų14546.2 Ų46.255%0.54723%0.23SC..SBendtrans-130161.8179-59.3-168.7178.8178.7-4.1111.1R29R29-R32 HydrophobicContact CB-CB 4.05Å; R29-R32 HydrophobicContact CB-CG 4.36Å; R29-R32 PolarHBondContact O-N 3.06Å; R29-R32 VanDerWaalsContact O-N 3.11Å
33G89.2Confident94.4Very high54 Ų5449.3 Ų49.356%0.55725%0.247SC*.  trans-64.8-175.9170.900000113
34L94.4Very high94.4Very high96 Ų9654.8 Ų54.850%0.50328%0.277SS..EExtended strand (participates in β ladder)trans-69.8128174.6-63.3172.2000110.2V26 Q28 W99V26-L34 HydrophobicContact CG1-CB 3.79Å; V26-L34 HydrophobicContact CG1-CD2 3.85Å; V26-L34 HydrophobicContact CG1-CG 4.3Å; Q28-L34 HydrophobicContact CB-CD2 3.8Å; Q28-L34 HydrophobicContact CG-CD2 3.91Å; L34-W99 HydrophobicContact CD1-CH2 3.96Å
35E96.3Very high94.4Very high31 Ų3156 Ų5615%0.14529%0.293CS..EExtended strand (participates in β ladder)trans-107.6113.3172.5-63.2-179.3-159.900108.3V26 K27 R29 I37 K52 F53V26-E35 WeakPolarHBondContact CA-O 3.07Å; K27-E35 HydrophobicContact CB-CB 4.33Å; K27-E35 PolarHBondContact N-O 3.46Å; K27-E35 PolarHBondContact O-N 2.57Å; R29-E35 IonicContact CZ-OE1 3.17Å; R29-E35 IonicContact NE-OE1 2.83Å; R29-E35 PolarHBondContact NE-OE1 2.83Å; R29-E35 VanDerWaalsContact NE-OE1 3.08Å; R29-E35 IonicContact NH2-OE1 2.57Å; R29-E35 IonicContact NH2-OE2 3.49Å; E35-I37 PolarHBondContact O-N 2.81Å; E35-K52 VanDerWaalsContact CD-NZ 3.34Å; E35-K52 IonicContact OE1-NZ 3.28Å; E35-K52 PolarHBondContact OE1-NZ 2.91Å; E35-K52 IonicContact OE2-NZ 3.89Å; E35-K52 PolarHBondContact OE2-NZ 2.79Å; E35-F53 HydrophobicContact CB-CE2 4.34Å; E35-F53 HydrophobicContact CB-CZ 4.26Å
36W96.7Very high94.3Very high80 Ų8059.6 Ų59.630%0.30331%0.313SS..EExtended strand (participates in β ladder)trans-68.3129.2174.2-177.470000110.2H24 G38 R39 E48 A50 F53H24-W36 AromaticContact CG-NE1 3.95Å; H24-W36 AromaticContact ND1-CE2 3.95Å; H24-W36 AromaticContact ND1-NE1 3.25Å; H24-W36 PolarHBondContact ND1-NE1 2.82Å; W36-G38 VanDerWaalsContact CE2-C 3.4Å; W36-G38 VanDerWaalsContact CE2-CA 3.45Å; W36-G38 PolarHBondContact NE1-O 2.88Å; W36-R39 HydrophobicContact CZ2-CB 4.1Å; W36-R39 HydrophobicContact CZ2-CG 4.12Å; W36-E48 HydrophobicContact CH2-CB 4.29Å; W36-E48 HydrophobicContact CH2-CG 3.99Å; W36-A50 HydrophobicContact CE3-CB 3.85Å; W36-A50 HydrophobicContact CZ3-CB 4.16Å; W36-A50 VanDerWaalsContact O-CB 3.23Å; W36-A50 WeakPolarHBondContact O-CB 3.42Å; W36-F53 WeakPolarHBondContact O-CE2 3.23Å
37I98.1Very high94.3Very high0 Ų061.5 Ų61.50%033%0.325CS..EExtended strand (participates in β ladder)trans-89.8-47.1-179.9-63.8169.3000110W25 K27 E35 A50 F53 A57 L70 Y83W25-I37 HydrophobicContact CB-CB 4.06Å; W25-I37 HydrophobicContact CB-CD1 4.12Å; W25-I37 HydrophobicContact CB-CG2 4.46Å; W25-I37 WeakPolarHBondContact O-CB 3.23Å; W25-I37 PolarHBondContact O-N 3.06Å; K27-I37 HydrophobicContact CB-CD1 4.04Å; K27-I37 HydrophobicContact CB-CG1 4.17Å; E35-I37 PolarHBondContact O-N 2.81Å; I37-A50 PolarHBondContact O-N 3.44Å; I37-F53 HydrophobicContact CB-CD2 4.28Å; I37-F53 HydrophobicContact CB-CG 4.26Å; I37-F53 HydrophobicContact CG1-CD1 4.06Å; I37-F53 HydrophobicContact CG1-CD2 4.22Å; I37-F53 HydrophobicContact CG1-CE1 3.9Å; I37-F53 HydrophobicContact CG1-CE2 4.04Å; I37-F53 HydrophobicContact CG1-CG 4.21Å; I37-F53 HydrophobicContact CG1-CZ 3.88Å; I37-F53 HydrophobicContact CG2-CB 3.91Å; I37-F53 HydrophobicContact CG2-CD1 4.15Å; I37-F53 HydrophobicContact CG2-CD2 4.39Å; I37-F53 HydrophobicContact CG2-CG 3.9Å; I37-A57 HydrophobicContact CG2-CB 3.77Å; I37-L70 HydrophobicContact CD1-CD2 3.72Å; I37-L70 HydrophobicContact CG2-CD1 4.22Å; I37-Y83 HydrophobicContact CD1-CD1 3.71Å; I37-Y83 HydrophobicContact CD1-CE1 3.84Å
38G97.8Very high94.3Very high0 Ų066 Ų660%035%0.345CS..EExtended strand (participates in β ladder)trans166.2179.3-171.700000112.8H24 W25 W36 E48H24-G38 WeakPolarHBondContact CA-O 3.48Å; W25-G38 PolarHBondContact N-O 3.05Å; W36-G38 VanDerWaalsContact CE2-C 3.4Å; W36-G38 VanDerWaalsContact CE2-CA 3.45Å; W36-G38 PolarHBondContact NE1-O 2.88Å; G38-E48 CarbonylContact C-O 3.58Å; G38-E48 WeakPolarHBondContact CA-O 3.32Å
39R97.1Very high94.4Very high36 Ų3665.3 Ų65.314%0.13634%0.34CS..EExtended strand (participates in β ladder)trans-130.7154.3168.566.6169.8179.48512.7111M23 W36 D46 T47 E48 M59M23-R39 CarbonylContact O-C 3.53Å; M23-R39 VanDerWaalsContact O-CA 3.29Å; M23-R39 WeakPolarHBondContact O-CA 3.42Å; W36-R39 HydrophobicContact CZ2-CB 4.1Å; W36-R39 HydrophobicContact CZ2-CG 4.12Å; R39-D46 IonicContact NH1-OD2 3.08Å; R39-D46 IonicContact NH2-OD2 3.8Å; R39-T47 WeakPolarHBondContact O-CA 3.27Å; R39-E48 HydrophobicContact CG-CB 3.91Å; R39-E48 IonicContact CZ-OE2 2.93Å; R39-E48 PolarHBondContact N-O 3.32Å; R39-E48 IonicContact NE-OE2 3.74Å; R39-E48 PolarHBondContact NE-OE2 2.84Å; R39-E48 IonicContact NH2-OE2 3.69Å; R39-E48 PolarHBondContact NH2-OE2 2.89Å; R39-E48 PolarHBondContact O-N 2.81Å; R39-M59 WeakPolarHBondContact O-CE 3.27Å
40I97.9Very high94.7Very high4 Ų464.8 Ų64.82%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-121139.7165-177.6164.9000109.5Y22 M23 P42 D46 T47 M59 T60 A61Y22-I40 WeakPolarHBondContact CA-O 3.27Å; M23-I40 HydrophobicContact CB-CG2 3.87Å; M23-I40 PolarHBondContact N-O 2.78Å; M23-I40 PolarHBondContact O-N 2.98Å; I40-P42 WeakPolarHBondContact O-CD 3.42Å; I40-D46 CarbonylContact C-O 3.53Å; I40-D46 VanDerWaalsContact CA-O 3.32Å; I40-D46 WeakPolarHBondContact CA-O 3.21Å; I40-T47 HydrophobicContact CB-CG2 3.87Å; I40-T47 HydrophobicContact CD1-CG2 3.92Å; I40-T47 HydrophobicContact CG1-CG2 3.74Å; I40-M59 HydrophobicContact CB-CB 4.04Å; I40-M59 HydrophobicContact CD1-CB 4.36Å; I40-M59 HydrophobicContact CG2-CB 4.32Å; I40-T60 VanDerWaalsContact CD1-C 3.47Å; I40-T60 VanDerWaalsContact CD1-CA 3.45Å; I40-A61 HydrophobicContact CD1-CB 4.09Å
41D97Very high95.4Very high10 Ų1064.5 Ų64.55%0.05334%0.34CS..  trans-83.6110.7159.7-166.8-37000108.9Y22 E43 D44 G45 D46 Y90Y22-D41 HydrophobicContact CD1-CB 3.88Å; Y22-D41 HydrophobicContact CE1-CB 3.69Å; Y22-D41 WeakPolarHBondContact CE1-OD2 3.47Å; D41-E43 PolarHBondContact O-N 2.77Å; D41-E43 WeakPolarHBondContact OD1-CA 3.44Å; D41-E43 WeakPolarHBondContact OD1-CB 3.41Å; D41-E43 PolarHBondContact OD1-N 3.44Å; D41-D44 WeakPolarHBondContact CB-OD1 3.38Å; D41-G45 WeakPolarHBondContact O-CA 3.38Å; D41-G45 PolarHBondContact O-N 3.24Å; D41-D46 HydrophobicContact CB-CB 4.11Å; D41-D46 PolarHBondContact N-O 3.06Å; D41-Y90 PolarHBondContact OD1-OH 3.12Å; D41-Y90 PolarHBondContact OD2-OH 3.15Å
42P97Very high95.9Very high8 Ų860.5 Ų60.55%0.05232%0.319CS..THydrogen-bonded Turntrans-70.6-17.2178.9-22.638.8000113.8I18 Y21 M23 I40 A61 T63I18-P42 HydrophobicContact CD1-CG 4.5Å; I18-P42 HydrophobicContact CG1-CB 4.4Å; I18-P42 HydrophobicContact CG1-CG 3.99Å; I18-P42 HydrophobicContact CG2-CB 4.02Å; I18-P42 VanDerWaalsContact O-CG 3.32Å; I18-P42 WeakPolarHBondContact O-CG 3.4Å; Y21-P42 WeakPolarHBondContact O-CD 3.41Å; M23-P42 HydrophobicContact CB-CG 4.45Å; M23-P42 HydrophobicContact CG-CG 3.8Å; I40-P42 WeakPolarHBondContact O-CD 3.42Å; P42-A61 HydrophobicContact CB-CB 3.75Å; P42-A61 HydrophobicContact CG-CB 4.25Å; P42-T63 HydrophobicContact CB-CG2 4.13Å; P42-T63 WeakPolarHBondContact O-CG2 3.28Å
43E95.7Very high96.5Very high130 Ų13053.9 Ų53.961%0.60730%0.295SS*.THydrogen-bonded Turntrans-69.6-48.9-180-174174.8-159.600111.5D41D41-E43 PolarHBondContact O-N 2.77Å; D41-E43 WeakPolarHBondContact OD1-CA 3.44Å; D41-E43 WeakPolarHBondContact OD1-CB 3.41Å; D41-E43 PolarHBondContact OD1-N 3.44Å
44D95.9Very high96.8Very high118 Ų11858.1 Ų58.163%0.63130%0.3SS*.THydrogen-bonded Turntrans-120.2-8.5-174.968.35.8000114.5D41 D46D41-D44 WeakPolarHBondContact CB-OD1 3.38Å; D44-D46 WeakPolarHBondContact OD1-CB 3.49Å; D44-D46 PolarHBondContact OD1-N 2.96Å
45G96.6Very high96.8Very high41 Ų4157.3 Ų57.342%0.42332%0.315SS..  trans83.59.7179.500000114.5D41D41-G45 WeakPolarHBondContact O-CA 3.38Å; D41-G45 PolarHBondContact O-N 3.24Å
46D97.2Very high96.8Very high79 Ų7958.2 Ų58.242%0.42232%0.318SS..  trans-59138.7175.1-178.644.8000110.9R39 I40 D41 D44R39-D46 IonicContact NH1-OD2 3.08Å; R39-D46 IonicContact NH2-OD2 3.8Å; I40-D46 CarbonylContact C-O 3.53Å; I40-D46 VanDerWaalsContact CA-O 3.32Å; I40-D46 WeakPolarHBondContact CA-O 3.21Å; D41-D46 HydrophobicContact CB-CB 4.11Å; D41-D46 PolarHBondContact N-O 3.06Å; D44-D46 WeakPolarHBondContact OD1-CB 3.49Å; D44-D46 PolarHBondContact OD1-N 2.96Å
47T98.1Very high96.8Very high46 Ų4654.6 Ų54.628%0.28231%0.305SS..EExtended strand (participates in β ladder)trans-133.7137.9-176.650.40000112R39 I40 Y49 M59R39-T47 WeakPolarHBondContact O-CA 3.27Å; I40-T47 HydrophobicContact CB-CG2 3.87Å; I40-T47 HydrophobicContact CD1-CG2 3.92Å; I40-T47 HydrophobicContact CG1-CG2 3.74Å; T47-Y49 HydrophobicContact CG2-CE2 4.49Å; T47-Y49 VanDerWaalsContact OG1-CE2 3.28Å; T47-Y49 WeakPolarHBondContact OG1-CE2 3.38Å; T47-M59 HydrophobicContact CG2-CB 4.14Å; T47-M59 HydrophobicContact CG2-CE 4.19Å
48E97.6Very high96.9Very high94 Ų9457.7 Ų57.744%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-123.5131.5174.6-169-174.9161.700108.8W36 G38 R39 M59W36-E48 HydrophobicContact CH2-CB 4.29Å; W36-E48 HydrophobicContact CH2-CG 3.99Å; G38-E48 CarbonylContact C-O 3.58Å; G38-E48 WeakPolarHBondContact CA-O 3.32Å; R39-E48 HydrophobicContact CG-CB 3.91Å; R39-E48 IonicContact CZ-OE2 2.93Å; R39-E48 PolarHBondContact N-O 3.32Å; R39-E48 IonicContact NE-OE2 3.74Å; R39-E48 PolarHBondContact NE-OE2 2.84Å; R39-E48 IonicContact NH2-OE2 3.69Å; R39-E48 PolarHBondContact NH2-OE2 2.89Å; R39-E48 PolarHBondContact O-N 2.81Å; E48-M59 WeakPolarHBondContact O-CE 3.2Å
49Y98.3Very high96.9Very high56 Ų5658 Ų5822%0.2233%0.326CS..EExtended strand (participates in β ladder)trans-119.8142-176.6-61.2-94.4000110.3T47 A57 M59T47-Y49 HydrophobicContact CG2-CE2 4.49Å; T47-Y49 VanDerWaalsContact OG1-CE2 3.28Å; T47-Y49 WeakPolarHBondContact OG1-CE2 3.38Å; Y49-A57 HydrophobicContact CD1-CB 4.23Å; Y49-A57 HydrophobicContact CE1-CB 4.14Å; Y49-A57 WeakPolarHBondContact CE1-O 2.93Å; Y49-M59 HydrophobicContact CD1-CE 3.76Å; Y49-M59 HydrophobicContact CE1-CE 3.45Å; Y49-M59 VanDerWaalsContact CE1-CE 3.45Å; Y49-M59 HydrophobicContact CE1-CG 4.39Å; Y49-M59 HydrophobicContact CE2-CE 4.26Å; Y49-M59 HydrophobicContact CG-CE 4.3Å; Y49-M59 PolarHBondContact OH-N 3.4Å
50A97.6Very high97Very high16 Ų1659.3 Ų59.313%0.13234%0.338CS..  trans-64.5139.7160.800000109.5W36 I37 K52 F53 Q54W36-A50 HydrophobicContact CE3-CB 3.85Å; W36-A50 HydrophobicContact CZ3-CB 4.16Å; W36-A50 VanDerWaalsContact O-CB 3.23Å; W36-A50 WeakPolarHBondContact O-CB 3.42Å; I37-A50 PolarHBondContact O-N 3.44Å; A50-K52 PolarHBondContact O-N 2.93Å; A50-F53 HydrophobicContact CB-CD2 4.04Å; A50-F53 PolarHBondContact O-N 3.2Å; A50-Q54 PolarHBondContact O-N 3.24Å
51P96.9Very high97Very high116 Ų11660.8 Ų60.875%0.75335%0.351SS*.G310 helixtrans-52.3-33.4-175-30.635.1000114.5F53 Q54P51-F53 VanDerWaalsContact C-N 3.26Å; P51-F53 PolarHBondContact O-N 3.25Å; P51-Q54 PolarHBondContact O-N 2.88Å
52K94.5Very high97Very high111 Ų11163 Ų6348%0.48336%0.363SS..G310 helixtrans-64.2-27178.6-175179.2-178.9-177.40114.1R29 E35 A50R29-K52 VanDerWaalsContact NH2-NZ 3.19Å; E35-K52 VanDerWaalsContact CD-NZ 3.34Å; E35-K52 IonicContact OE1-NZ 3.28Å; E35-K52 PolarHBondContact OE1-NZ 2.91Å; E35-K52 IonicContact OE2-NZ 3.89Å; E35-K52 PolarHBondContact OE2-NZ 2.79Å; A50-K52 PolarHBondContact O-N 2.93Å
53F96.4Very high97Very high6 Ų665 Ų653%0.02637%0.374CS..G310 helixtrans-106.2-4.1-174.7-63.8-83.5000112.9K27 E35 W36 I37 A50 P51 G55 K56 A57K27-F53 HydrophobicContact CB-CZ 4.37Å; K27-F53 HydrophobicContact CD-CE1 3.97Å; K27-F53 HydrophobicContact CD-CZ 3.99Å; E35-F53 HydrophobicContact CB-CE2 4.34Å; E35-F53 HydrophobicContact CB-CZ 4.26Å; W36-F53 WeakPolarHBondContact O-CE2 3.23Å; I37-F53 HydrophobicContact CB-CD2 4.28Å; I37-F53 HydrophobicContact CB-CG 4.26Å; I37-F53 HydrophobicContact CG1-CD1 4.06Å; I37-F53 HydrophobicContact CG1-CD2 4.22Å; I37-F53 HydrophobicContact CG1-CE1 3.9Å; I37-F53 HydrophobicContact CG1-CE2 4.04Å; I37-F53 HydrophobicContact CG1-CG 4.21Å; I37-F53 HydrophobicContact CG1-CZ 3.88Å; I37-F53 HydrophobicContact CG2-CB 3.91Å; I37-F53 HydrophobicContact CG2-CD1 4.15Å; I37-F53 HydrophobicContact CG2-CD2 4.39Å; I37-F53 HydrophobicContact CG2-CG 3.9Å; A50-F53 HydrophobicContact CB-CD2 4.04Å; A50-F53 PolarHBondContact O-N 3.2Å; P51-F53 VanDerWaalsContact C-N 3.26Å; P51-F53 PolarHBondContact O-N 3.25Å; F53-G55 PolarHBondContact O-N 3.07Å; F53-K56 PolarHBondContact O-N 2.99Å; F53-A57 HydrophobicContact CB-CB 4.13Å; F53-A57 PolarHBondContact O-N 3.46Å
54Q95.4Very high97.1Very high143 Ų14364 Ų6467%0.66838%0.382SS*.THydrogen-bonded Turntrans-60.4130.1176.4-163.2166.7200110.5A50 P51 K56A50-Q54 PolarHBondContact O-N 3.24Å; P51-Q54 PolarHBondContact O-N 2.88Å; Q54-K56 PolarHBondContact O-N 3.34Å; Q54-K56 VanDerWaalsContact O-N 3.17Å
55G94.1Very high97.1Very high79 Ų7960.7 Ų60.781%0.81437%0.368SS*.THydrogen-bonded Turntrans77.5-16-17500000115.3F53F53-G55 PolarHBondContact O-N 3.07Å
56K96.4Very high97.2Very high50 Ų5060.2 Ų60.222%0.21736%0.356CS..THydrogen-bonded Turntrans-96-40.6176-170.1170-165.51720112.8F53 Q54 L72 S73 D79F53-K56 PolarHBondContact O-N 2.99Å; Q54-K56 PolarHBondContact O-N 3.34Å; Q54-K56 VanDerWaalsContact O-N 3.17Å; K56-L72 WeakPolarHBondContact O-CA 3.47Å; K56-S73 PolarHBondContact O-N 3.33Å; K56-D79 WeakPolarHBondContact CE-OD1 3.1Å; K56-D79 WeakPolarHBondContact CE-OD2 3.28Å; K56-D79 IonicContact NZ-OD1 2.97Å; K56-D79 PolarHBondContact NZ-OD1 2.97Å; K56-D79 IonicContact NZ-OD2 3.38Å; K56-D79 PolarHBondContact NZ-OD2 3.46Å
57A98.1Very high97.2Very high4 Ų456.8 Ų56.83%0.03334%0.338CS..EExtended strand (participates in β ladder)trans-97.3143.8177.300000110.7I37 Y49 F53 L70 Q71 L72I37-A57 HydrophobicContact CG2-CB 3.77Å; Y49-A57 HydrophobicContact CD1-CB 4.23Å; Y49-A57 HydrophobicContact CE1-CB 4.14Å; Y49-A57 WeakPolarHBondContact CE1-O 2.93Å; F53-A57 HydrophobicContact CB-CB 4.13Å; F53-A57 PolarHBondContact O-N 3.46Å; A57-L70 HydrophobicContact CB-CD1 3.78Å; A57-Q71 CarbonylContact C-O 3.53Å; A57-Q71 WeakPolarHBondContact CA-O 3.35Å; A57-L72 HydrophobicContact CB-CD2 4.1Å
58T98.5Very high97.2Very high64 Ų6454.6 Ų54.639%0.39332%0.324SS..EExtended strand (participates in β ladder)trans-132.6121.5167.7-550000107.7T60 Q71T58-T60 HydrophobicContact CG2-CG2 4.49Å; T58-Q71 PolarHBondContact N-O 2.93Å; T58-Q71 PolarHBondContact O-N 2.87Å
59M98.6Very high97.3Very high7 Ų752.4 Ų52.43%0.03431%0.312CS..EExtended strand (participates in β ladder)trans-102.7137.2177.3-65.7172.9-6100109.7W25 R39 I40 T47 E48 Y49 Y69 L70W25-M59 HydrophobicContact CB-SD 4.47Å; W25-M59 VanDerWaalsContact CD1-SD 3.54Å; W25-M59 HydrophobicContact CG-SD 4.32Å; R39-M59 WeakPolarHBondContact O-CE 3.27Å; I40-M59 HydrophobicContact CB-CB 4.04Å; I40-M59 HydrophobicContact CD1-CB 4.36Å; I40-M59 HydrophobicContact CG2-CB 4.32Å; T47-M59 HydrophobicContact CG2-CB 4.14Å; T47-M59 HydrophobicContact CG2-CE 4.19Å; E48-M59 WeakPolarHBondContact O-CE 3.2Å; Y49-M59 HydrophobicContact CD1-CE 3.76Å; Y49-M59 HydrophobicContact CE1-CE 3.45Å; Y49-M59 VanDerWaalsContact CE1-CE 3.45Å; Y49-M59 HydrophobicContact CE1-CG 4.39Å; Y49-M59 HydrophobicContact CE2-CE 4.26Å; Y49-M59 HydrophobicContact CG-CE 4.3Å; Y49-M59 PolarHBondContact OH-N 3.4Å; M59-Y69 WeakPolarHBondContact CA-O 3.28Å; M59-L70 HydrophobicContact CG-CD1 3.93Å
60T98.5Very high97.3Very high63 Ų6349.7 Ų49.739%0.38730%0.302SS..EExtended strand (participates in β ladder)trans-140.2162.7173.259.20000109.8I40 T58 A68 Y69I40-T60 VanDerWaalsContact CD1-C 3.47Å; I40-T60 VanDerWaalsContact CD1-CA 3.45Å; T58-T60 HydrophobicContact CG2-CG2 4.49Å; T60-A68 CarbonylContact O-C 3.59Å; T60-Y69 PolarHBondContact N-O 3.06Å; T60-Y69 PolarHBondContact O-N 3.48Å
61A98.2Very high97.4Very high36 Ų3652.7 Ų52.730%0.29831%0.313SS..EExtended strand (participates in β ladder)trans-136.4146.4175.800000110.6I40 P42 T67I40-A61 HydrophobicContact CD1-CB 4.09Å; P42-A61 HydrophobicContact CB-CB 3.75Å; P42-A61 HydrophobicContact CG-CB 4.25Å; A61-T67 WeakPolarHBondContact CA-O 3.43Å
62D97.9Very high97.4Very high57 Ų5747.2 Ų47.231%0.30528%0.278SS..EExtended strand (participates in β ladder)trans-118.7107.6168.1174.39.3000108.1S64 S65 N66 T67 Y69D62-S64 VanDerWaalsContact C-N 3.3Å; D62-S64 WeakPolarHBondContact OD1-CB 3.34Å; D62-S64 PolarHBondContact OD1-N 2.9Å; D62-S64 PolarHBondContact OD1-OG 3.37Å; D62-S64 PolarHBondContact OD2-OG 2.91Å; D62-S65 WeakPolarHBondContact CB-OG 2.98Å; D62-S65 PolarHBondContact O-OG 3.17Å; D62-S65 PolarHBondContact OD1-N 3.04Å; D62-S65 WeakPolarHBondContact OD2-CB 2.97Å; D62-S65 PolarHBondContact OD2-OG 3.48Å; D62-N66 PolarHBondContact O-N 3.37Å; D62-N66 VanDerWaalsContact O-N 3.08Å; D62-T67 PolarHBondContact N-O 2.9Å; D62-T67 PolarHBondContact O-N 2.02Å; D62-Y69 HydrophobicContact CB-CE2 3.93Å
63T97Very high97.6Very high48 Ų4843.4 Ų43.429%0.29427%0.265SS..THydrogen-bonded Turntrans-78.2-18.3-176.259.20000112.7I18 K19 P42I18-T63 HydrophobicContact CG2-CG2 4.27Å; K19-T63 HydrophobicContact CD-CG2 4.15Å; K19-T63 WeakPolarHBondContact CE-OG1 3.29Å; K19-T63 HydrophobicContact CG-CG2 3.54Å; P42-T63 HydrophobicContact CB-CG2 4.13Å; P42-T63 WeakPolarHBondContact O-CG2 3.28Å
64S96.6Very high97.6Very high110 Ų11047.1 Ų47.177%0.76929%0.292SS*.THydrogen-bonded Turntrans-71.9-35.8174.574.10000111.7D62D62-S64 VanDerWaalsContact C-N 3.3Å; D62-S64 WeakPolarHBondContact OD1-CB 3.34Å; D62-S64 PolarHBondContact OD1-N 2.9Å; D62-S64 PolarHBondContact OD1-OG 3.37Å; D62-S64 PolarHBondContact OD2-OG 2.91Å
65S97.6Very high97.7Very high48 Ų4840.4 Ų40.434%0.33626%0.26SS..THydrogen-bonded Turntrans-98.37.6175.864.20000113.5D62 T67D62-S65 WeakPolarHBondContact CB-OG 2.98Å; D62-S65 PolarHBondContact O-OG 3.17Å; D62-S65 PolarHBondContact OD1-N 3.04Å; D62-S65 WeakPolarHBondContact OD2-CB 2.97Å; D62-S65 PolarHBondContact OD2-OG 3.48Å; S65-T67 PolarHBondContact O-N 3.28Å; S65-T67 PolarHBondContact O-OG1 2.91Å
66N97.2Very high97.7Very high32 Ų3239.4 Ų39.417%0.17124%0.238CC..THydrogen-bonded Turntrans51.439.2-179.7-147.944.7000112.7A13 F16 I18 D62A13-N66 VanDerWaalsContact CB-ND2 3.34Å; A13-N66 WeakPolarHBondContact CB-ND2 3.25Å; A13-N66 PolarHBondContact N-O 3.49Å; A13-N66 PolarHBondContact O-ND2 3.28Å; F16-N66 PolarHBondContact O-ND2 3.12Å; I18-N66 WeakPolarHBondContact CB-OD1 3.24Å; I18-N66 VanDerWaalsContact CG2-OD1 3.26Å; I18-N66 WeakPolarHBondContact CG2-OD1 3.48Å; I18-N66 PolarHBondContact N-OD1 2.88Å; D62-N66 PolarHBondContact O-N 3.37Å; D62-N66 VanDerWaalsContact O-N 3.08Å
67T98.3Very high97.7Very high6 Ų641.2 Ų41.24%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-129.3128.2-168.5-61.70000112C11 T12 A61 D62 S65 Y69C11-T67 CarbonylContact O-C 3.48Å; C11-T67 WeakPolarHBondContact O-CA 3.22Å; T12-T67 PolarHBondContact OG1-OG1 2.89Å; A61-T67 WeakPolarHBondContact CA-O 3.43Å; D62-T67 PolarHBondContact N-O 2.9Å; D62-T67 PolarHBondContact O-N 2.02Å; S65-T67 PolarHBondContact O-N 3.28Å; S65-T67 PolarHBondContact O-OG1 2.91Å; T67-Y69 HydrophobicContact CG2-CD1 4.28Å; T67-Y69 HydrophobicContact CG2-CD2 4.43Å; T67-Y69 HydrophobicContact CG2-CE1 3.68Å; T67-Y69 HydrophobicContact CG2-CE2 3.83Å; T67-Y69 VanDerWaalsContact CG2-CZ 3.41Å
68A98.3Very high97.4Very high0 Ų046.3 Ų46.30%028%0.28CS..EExtended strand (participates in β ladder)trans-95.1151.2168.500000110.7S10 C11 I18 M23 W25 T60S10-A68 CarbonylContact C-O 3.52Å; S10-A68 WeakPolarHBondContact CA-O 3.39Å; C11-A68 PolarHBondContact N-O 3.31Å; C11-A68 PolarHBondContact O-N 3.08Å; I18-A68 HydrophobicContact CD1-CB 4Å; M23-A68 HydrophobicContact CB-CB 3.92Å; M23-A68 HydrophobicContact CG-CB 4.03Å; W25-A68 HydrophobicContact CZ2-CB 4.48Å; T60-A68 CarbonylContact O-C 3.59Å
69Y98.7Very high97.3Very high48 Ų4843.4 Ų43.419%0.18826%0.263CS..EExtended strand (participates in β ladder)trans-129.8145.1-179.1-57.5-84.8000111.3K8 L9 M59 T60 D62 T67K8-Y69 HydrophobicContact CD-CD1 4.4Å; K8-Y69 VanDerWaalsContact CE-CG 3.47Å; K8-Y69 HydrophobicContact CG-CD1 4.41Å; L9-Y69 CarbonylContact O-C 3.59Å; L9-Y69 WeakPolarHBondContact O-CA 3.24Å; M59-Y69 WeakPolarHBondContact CA-O 3.28Å; T60-Y69 PolarHBondContact N-O 3.06Å; T60-Y69 PolarHBondContact O-N 3.48Å; D62-Y69 HydrophobicContact CB-CE2 3.93Å; T67-Y69 HydrophobicContact CG2-CD1 4.28Å; T67-Y69 HydrophobicContact CG2-CD2 4.43Å; T67-Y69 HydrophobicContact CG2-CE1 3.68Å; T67-Y69 HydrophobicContact CG2-CE2 3.83Å; T67-Y69 VanDerWaalsContact CG2-CZ 3.41Å
70L98.8Very high97.2Very high0 Ų045.2 Ų45.20%027%0.274CS..EExtended strand (participates in β ladder)trans-124.2115.2169.6170.968.3000108.6K8 L9 W25 I37 A57 M59 L72 Y83K8-L70 WeakPolarHBondContact CA-O 3.47Å; L9-L70 HydrophobicContact CB-CB 4.46Å; L9-L70 HydrophobicContact CD1-CD2 4.35Å; L9-L70 PolarHBondContact N-O 2.79Å; L9-L70 PolarHBondContact O-N 2.92Å; W25-L70 HydrophobicContact CB-CD2 4.09Å; W25-L70 HydrophobicContact CD2-CB 3.46Å; W25-L70 VanDerWaalsContact CD2-CB 3.46Å; W25-L70 HydrophobicContact CD2-CD2 3.81Å; W25-L70 HydrophobicContact CD2-CG 4.18Å; W25-L70 VanDerWaalsContact CE2-CB 3.45Å; W25-L70 HydrophobicContact CE3-CB 3.69Å; W25-L70 HydrophobicContact CE3-CD2 3.61Å; W25-L70 HydrophobicContact CE3-CG 4.29Å; W25-L70 HydrophobicContact CG-CB 4Å; W25-L70 HydrophobicContact CG-CD2 4.03Å; W25-L70 HydrophobicContact CG-CG 4.41Å; W25-L70 HydrophobicContact CH2-CB 3.91Å; W25-L70 HydrophobicContact CZ2-CB 3.69Å; W25-L70 HydrophobicContact CZ3-CB 3.91Å; W25-L70 HydrophobicContact CZ3-CD2 4.29Å; I37-L70 HydrophobicContact CD1-CD2 3.72Å; I37-L70 HydrophobicContact CG2-CD1 4.22Å; A57-L70 HydrophobicContact CB-CD1 3.78Å; M59-L70 HydrophobicContact CG-CD1 3.93Å; L70-L72 HydrophobicContact CD1-CD2 4.22Å; L70-L72 HydrophobicContact CD2-CD1 4.33Å; L70-L72 HydrophobicContact CD2-CD2 4.27Å; L70-L72 HydrophobicContact CD2-CG 4.23Å; L70-L72 HydrophobicContact CG-CD2 4.29Å; L70-L72 HydrophobicContact CG-CG 4.14Å; L70-Y83 HydrophobicContact CD2-CD1 4.12Å
71Q98.6Very high97.1Very high79 Ų7942.4 Ų42.437%0.36926%0.257SS..EExtended strand (participates in β ladder)trans-96.2127.8168.8-177.2170.7-9.300109.6V7 A57 T58V7-Q71 CarbonylContact O-C 3.58Å; V7-Q71 VanDerWaalsContact O-CA 3.31Å; V7-Q71 WeakPolarHBondContact O-CA 3.48Å; A57-Q71 CarbonylContact C-O 3.53Å; A57-Q71 WeakPolarHBondContact CA-O 3.35Å; T58-Q71 PolarHBondContact N-O 2.93Å; T58-Q71 PolarHBondContact O-N 2.87Å
72L98.3Very high97.1Very high1 Ų142.3 Ų42.31%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-112.9127.5172.9-63.5165.9000108.2S6 V7 K56 A57 L70 L75 Y83S6-L72 CarbonylContact C-O 3.39Å; S6-L72 WeakPolarHBondContact CA-O 3.31Å; S6-L72 WeakPolarHBondContact CB-O 3.29Å; V7-L72 HydrophobicContact CG2-CB 4.06Å; V7-L72 HydrophobicContact CG2-CD1 4.27Å; V7-L72 PolarHBondContact N-O 3.23Å; V7-L72 PolarHBondContact O-N 2.71Å; K56-L72 WeakPolarHBondContact O-CA 3.47Å; A57-L72 HydrophobicContact CB-CD2 4.1Å; L70-L72 HydrophobicContact CD1-CD2 4.22Å; L70-L72 HydrophobicContact CD2-CD1 4.33Å; L70-L72 HydrophobicContact CD2-CD2 4.27Å; L70-L72 HydrophobicContact CD2-CG 4.23Å; L70-L72 HydrophobicContact CG-CD2 4.29Å; L70-L72 HydrophobicContact CG-CG 4.14Å; L72-L75 HydrophobicContact CB-CD2 3.75Å; L72-L75 HydrophobicContact CD1-CD2 4.41Å; L72-Y83 HydrophobicContact CD1-CD1 3.96Å; L72-Y83 HydrophobicContact CD1-CE1 3.36Å; L72-Y83 HydrophobicContact CD1-CE2 4.24Å
73S97.5Very high97.1Very high31 Ų3139.7 Ų39.722%0.21724%0.239CC..  trans-112.2158.3-178.4-62.90000112.3S6 K56 L75S6-S73 WeakPolarHBondContact OG-CA 3.36Å; S6-S73 PolarHBondContact OG-OG 3.09Å; K56-S73 PolarHBondContact O-N 3.33Å; S73-L75 VanDerWaalsContact C-N 3.33Å; S73-L75 PolarHBondContact O-N 2.95Å
74S96.5Very high97.2Very high84 Ų8439.5 Ų39.559%0.58723%0.233SC*.SBendtrans52.150.7176.1-56.60000112.3A5A5-S74 PolarHBondContact O-N 3.14Å
75L97.2Very high97.2Very high1 Ų134.9 Ų34.91%0.00520%0.201CC..  trans-61.7142.6-173.4-70.8172.8000112.4V1 P3 G4 A5 V7 L72 S73 D79 V105 V107V1-L75 HydrophobicContact CG2-CD1 3.48Å; V1-L75 VanDerWaalsContact CG2-CD1 3.48Å; P3-L75 CarbonylContact C-O 3.52Å; P3-L75 WeakPolarHBondContact CA-O 3.37Å; G4-L75 PolarHBondContact N-O 2.86Å; A5-L75 WeakPolarHBondContact O-CB 3.38Å; A5-L75 VanDerWaalsContact O-CG 3.23Å; A5-L75 WeakPolarHBondContact O-CG 3.15Å; A5-L75 PolarHBondContact O-N 2.76Å; V7-L75 HydrophobicContact CB-CD1 4.3Å; V7-L75 HydrophobicContact CG1-CD1 3.69Å; V7-L75 HydrophobicContact CG2-CD1 3.89Å; L72-L75 HydrophobicContact CB-CD2 3.75Å; L72-L75 HydrophobicContact CD1-CD2 4.41Å; S73-L75 VanDerWaalsContact C-N 3.33Å; S73-L75 PolarHBondContact O-N 2.95Å; L75-D79 WeakPolarHBondContact CA-OD2 3.34Å; L75-D79 HydrophobicContact CD2-CB 3.58Å; L75-V105 HydrophobicContact CD1-CG1 4.49Å; L75-V107 HydrophobicContact CB-CG1 4.23Å; L75-V107 HydrophobicContact CB-CG2 4.02Å; L75-V107 HydrophobicContact CD1-CG2 4.24Å
76T95.9Very high97.1Very high58 Ų5832.6 Ų32.636%0.35619%0.185SC..  trans-121.7170.5173.9680000110E78 D79 V107T76-E78 PolarHBondContact O-N 3.34Å; T76-E78 VanDerWaalsContact O-N 3.12Å; T76-D79 PolarHBondContact N-OD2 2.85Å; T76-D79 WeakPolarHBondContact O-CB 3.49Å; T76-D79 PolarHBondContact O-N 2.93Å; T76-D79 PolarHBondContact OG1-OD2 2.86Å; T76-V107 WeakPolarHBondContact O-CB 3.16Å; T76-V107 WeakPolarHBondContact O-CG2 3.38Å
77S94.6Very high96.9Very high88 Ų8832 Ų3262%0.61518%0.182SC*.G310 helixtrans-54.7-30.1175.251.50000112.6D79 T80S77-D79 PolarHBondContact O-N 2.85Å; S77-T80 VanDerWaalsContact O-CB 3.32Å; S77-T80 WeakPolarHBondContact O-CB 3.5Å; S77-T80 PolarHBondContact O-N 2.81Å; S77-T80 VanDerWaalsContact O-N 3.09Å; S77-T80 PolarHBondContact O-OG1 3.03Å; S77-T80 VanDerWaalsContact O-OG1 3.14Å
78E92.9Very high96.6Very high111 Ų11132 Ų3252%0.51918%0.183SC..G310 helixtrans-65.9-15.6175.3-68.3-162.6-153.600114.8K27 R29 T76 T80K27-E78 WeakPolarHBondContact CE-O 3.37Å; K27-E78 PolarHBondContact NZ-O 2.97Å; R29-E78 IonicContact CZ-OE2 2.71Å; R29-E78 IonicContact NH1-OE2 3.31Å; R29-E78 PolarHBondContact NH1-OE2 3.45Å; R29-E78 IonicContact NH2-OE2 3.89Å; R29-E78 PolarHBondContact NH2-OE2 3.17Å; T76-E78 PolarHBondContact O-N 3.34Å; T76-E78 VanDerWaalsContact O-N 3.12Å; E78-T80 VanDerWaalsContact C-N 3.26Å
79D95.4Very high95.9Very high4 Ų436.6 Ų36.62%0.02120%0.201CC..G310 helixtrans-85.50.4174-56.7-50.6000113.6K27 K56 L75 T76 S77 A81 Y83 V107K27-D79 IonicContact NZ-OD1 3.7Å; K27-D79 PolarHBondContact NZ-OD1 2.95Å; K56-D79 WeakPolarHBondContact CE-OD1 3.1Å; K56-D79 WeakPolarHBondContact CE-OD2 3.28Å; K56-D79 IonicContact NZ-OD1 2.97Å; K56-D79 PolarHBondContact NZ-OD1 2.97Å; K56-D79 IonicContact NZ-OD2 3.38Å; K56-D79 PolarHBondContact NZ-OD2 3.46Å; L75-D79 WeakPolarHBondContact CA-OD2 3.34Å; L75-D79 HydrophobicContact CD2-CB 3.58Å; T76-D79 PolarHBondContact N-OD2 2.85Å; T76-D79 WeakPolarHBondContact O-CB 3.49Å; T76-D79 PolarHBondContact O-N 2.93Å; T76-D79 PolarHBondContact OG1-OD2 2.86Å; S77-D79 PolarHBondContact O-N 2.85Å; D79-A81 PolarHBondContact O-N 2.74Å; D79-Y83 WeakPolarHBondContact O-CE2 3.37Å; D79-Y83 PolarHBondContact O-OH 3.39Å; D79-Y83 VanDerWaalsContact O-OH 3.05Å; D79-V107 HydrophobicContact CB-CG2 4.17Å
80T96.7Very high94.7Very high44 Ų4436.4 Ų36.427%0.2720%0.2SC..  trans-66109.1168.4-60.80000109.8S77 E78 V105 T106 V107S77-T80 VanDerWaalsContact O-CB 3.32Å; S77-T80 WeakPolarHBondContact O-CB 3.5Å; S77-T80 PolarHBondContact O-N 2.81Å; S77-T80 VanDerWaalsContact O-N 3.09Å; S77-T80 PolarHBondContact O-OG1 3.03Å; S77-T80 VanDerWaalsContact O-OG1 3.14Å; E78-T80 VanDerWaalsContact C-N 3.26Å; T80-V105 VanDerWaalsContact CA-O 3.25Å; T80-V105 WeakPolarHBondContact CA-O 3.41Å; T80-T106 HydrophobicContact CG2-CG2 4.25Å; T80-V107 PolarHBondContact OG1-N 2.78Å; T80-V107 PolarHBondContact OG1-O 3.41Å
81A97.3Very high93.2Very high4 Ų446 Ų463%0.03324%0.238CC..EExtended strand (participates in β ladder)trans-167.6168.2-172.700000111.2K27 Q28 R29 D79 Y83 V105K27-A81 HydrophobicContact CD-CB 4.15Å; K27-A81 HydrophobicContact CG-CB 3.51Å; Q28-A81 WeakPolarHBondContact O-CA 3.34Å; Q28-A81 VanDerWaalsContact O-CB 3.22Å; Q28-A81 WeakPolarHBondContact O-CB 3.39Å; R29-A81 HydrophobicContact CG-CB 4.43Å; D79-A81 PolarHBondContact O-N 2.74Å; A81-Y83 HydrophobicContact CB-CD2 4.3Å; A81-Y83 HydrophobicContact CB-CE2 3.73Å; A81-V105 PolarHBondContact N-O 2.95Å; A81-V105 PolarHBondContact O-N 2.96Å
82V98Very high91.4Very high35 Ų3543.9 Ų43.921%0.21224%0.236CC..EExtended strand (participates in β ladder)trans-91.7132.2162.7-1710000108.5Q28 Y84Q28-V82 PolarHBondContact N-O 2.6Å; Q28-V82 PolarHBondContact O-N 3.23Å; V82-Y84 HydrophobicContact CB-CE2 3.85Å; V82-Y84 HydrophobicContact CG1-CD2 4.3Å; V82-Y84 HydrophobicContact CG1-CE1 3.86Å; V82-Y84 HydrophobicContact CG1-CE2 3.62Å; V82-Y84 WeakPolarHBondContact CG1-OH 3.48Å
83Y98.3Very high89.5Confident2 Ų249 Ų491%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-111.5126.5-179.6-70.8-96.2000109.8L9 V26 K27 I37 L70 L72 D79 A81 G102 T103 V105L9-Y83 VanDerWaalsContact CD1-CB 3.44Å; L9-Y83 HydrophobicContact CD1-CD1 4.25Å; L9-Y83 HydrophobicContact CD1-CD2 4.27Å; L9-Y83 HydrophobicContact CD1-CG 3.74Å; V26-Y83 CarbonylContact O-C 3.52Å; V26-Y83 WeakPolarHBondContact O-CA 3.34Å; K27-Y83 HydrophobicContact CB-CD1 4.22Å; K27-Y83 HydrophobicContact CB-CE1 3.96Å; K27-Y83 HydrophobicContact CD-CE1 4Å; K27-Y83 WeakPolarHBondContact CE-OH 3.36Å; K27-Y83 HydrophobicContact CG-CD1 4.42Å; K27-Y83 HydrophobicContact CG-CE1 3.86Å; I37-Y83 HydrophobicContact CD1-CD1 3.71Å; I37-Y83 HydrophobicContact CD1-CE1 3.84Å; L70-Y83 HydrophobicContact CD2-CD1 4.12Å; L72-Y83 HydrophobicContact CD1-CD1 3.96Å; L72-Y83 HydrophobicContact CD1-CE1 3.36Å; L72-Y83 HydrophobicContact CD1-CE2 4.24Å; D79-Y83 WeakPolarHBondContact O-CE2 3.37Å; D79-Y83 PolarHBondContact O-OH 3.39Å; D79-Y83 VanDerWaalsContact O-OH 3.05Å; A81-Y83 HydrophobicContact CB-CD2 4.3Å; A81-Y83 HydrophobicContact CB-CE2 3.73Å; Y83-G102 CarbonylContact O-C 3.57Å; Y83-G102 VanDerWaalsContact O-CA 3.27Å; Y83-G102 WeakPolarHBondContact O-CA 3.11Å; Y83-T103 PolarHBondContact N-O 3.5Å; Y83-T103 PolarHBondContact O-N 3.13Å; Y83-V105 HydrophobicContact CD2-CB 3.96Å; Y83-V105 HydrophobicContact CD2-CG2 3.7Å; Y83-V105 HydrophobicContact CE2-CB 3.78Å; Y83-V105 HydrophobicContact CE2-CG2 3.93Å
84Y97.9Very high87.6Confident43 Ų4356.1 Ų56.117%0.16929%0.294CS..EExtended strand (participates in β ladder)trans-115.3155.2-178.4-57.4-87.5000111.1W25 V26 Q28 V82 W99 G100W25-Y84 WeakPolarHBondContact CA-O 3.41Å; V26-Y84 PolarHBondContact N-O 2.81Å; V26-Y84 PolarHBondContact O-N 2.86Å; Q28-Y84 HydrophobicContact CB-CD2 4.34Å; Q28-Y84 HydrophobicContact CB-CE2 3.69Å; Q28-Y84 VanDerWaalsContact OE1-CE2 3.26Å; Q28-Y84 PolarHBondContact OE1-OH 3.05Å; V82-Y84 HydrophobicContact CB-CE2 3.85Å; V82-Y84 HydrophobicContact CG1-CD2 4.3Å; V82-Y84 HydrophobicContact CG1-CE1 3.86Å; V82-Y84 HydrophobicContact CG1-CE2 3.62Å; V82-Y84 WeakPolarHBondContact CG1-OH 3.48Å; Y84-W99 HydrophobicContact CD1-CE3 4.33Å; Y84-W99 HydrophobicContact CD2-CZ3 4.42Å; Y84-W99 AromaticContact CG-CE3 3.92Å; Y84-W99 HydrophobicContact CG-CE3 3.92Å; Y84-W99 HydrophobicContact CG-CZ3 4.19Å; Y84-G100 WeakPolarHBondContact CD1-O 3.06Å
85C96.9Very high86.1Confident14 Ų1459.6 Ų59.610%0.09530%0.296CS..EExtended strand (participates in β ladder)trans-120.5153.3166.461.70000110.1C11 M23 H24 W25 G100C11-C85 HydrophobicContact CB-CB 3.45Å; C11-C85 VanDerWaalsContact CB-CB 3.45Å; C11-C85 WeakPolarHBondContact CB-SG 3.2Å; C11-C85 WeakPolarHBondContact SG-CB 3.47Å; C11-C85 CovalentContact SG-SG 2.02Å; C11-C85 PolarHBondContact SG-SG 3.23Å; M23-C85 HydrophobicContact CE-CB 4.48Å; H24-C85 VanDerWaalsContact O-CA 3.24Å; H24-C85 WeakPolarHBondContact O-CA 3.41Å; W25-C85 HydrophobicContact CD2-CB 4.37Å; W25-C85 HydrophobicContact CE3-CB 4.2Å; W25-C85 HydrophobicContact CH2-CB 4.3Å; W25-C85 HydrophobicContact CZ2-CB 4.44Å; W25-C85 HydrophobicContact CZ3-CB 4.17Å; C85-G100 PolarHBondContact O-N 3.08Å
86T95.4Very high85.2Confident0 Ų062.6 Ų62.60%031%0.309CS..EExtended strand (participates in β ladder)trans-161.8131.5-175.81640000109.7H24 V26 F96 V98 W99H24-T86 HydrophobicContact CB-CG2 4.03Å; H24-T86 WeakPolarHBondContact CB-O 3.34Å; H24-T86 PolarHBondContact N-O 2.84Å; H24-T86 PolarHBondContact O-N 2.9Å; V26-T86 HydrophobicContact CG2-CG2 4.31Å; T86-F96 HydrophobicContact CG2-CD1 3.31Å; T86-F96 HydrophobicContact CG2-CE1 3.6Å; T86-F96 WeakPolarHBondContact OG1-CA 3.46Å; T86-F96 WeakPolarHBondContact OG1-CD1 3.32Å; T86-V98 VanDerWaalsContact CB-O 3.28Å; T86-V98 WeakPolarHBondContact CB-O 2.95Å; T86-V98 PolarHBondContact OG1-O 2.87Å; T86-W99 HydrophobicContact CG2-CD2 4.21Å; T86-W99 HydrophobicContact CG2-CE3 4.19Å; T86-W99 HydrophobicContact CG2-CH2 4.16Å; T86-W99 HydrophobicContact CG2-CZ2 4.17Å; T86-W99 HydrophobicContact CG2-CZ3 4.18Å
87P93.9Very high84.3Confident18 Ų1865.1 Ų65.112%0.11732%0.32CS..EExtended strand (participates in β ladder)trans-81.8155.9178.534.2-33.8000111.9F16 Y21 Y22 M23 V98F16-P87 HydrophobicContact CE1-CG 4.31Å; F16-P87 HydrophobicContact CE2-CB 4.1Å; F16-P87 HydrophobicContact CZ-CB 3.87Å; F16-P87 HydrophobicContact CZ-CG 3.83Å; Y21-P87 HydrophobicContact CD1-CB 3.75Å; Y21-P87 HydrophobicContact CE1-CB 4.49Å; Y21-P87 HydrophobicContact CG-CB 4.12Å; Y22-P87 CarbonylContact O-C 3.58Å; Y22-P87 VanDerWaalsContact O-CA 3.28Å; Y22-P87 WeakPolarHBondContact O-CA 3.33Å; M23-P87 HydrophobicContact SD-CB 3.82Å; P87-V98 VanDerWaalsContact CD-O 3.29Å; P87-V98 WeakPolarHBondContact CD-O 3.47Å
88S91.6Very high84Confident7 Ų765.4 Ų65.45%0.04932%0.318CS..EExtended strand (participates in β ladder)trans-137.4142.8162.375.30000110.4Y21 Y22 H24Y21-S88 CarbonylContact C-O 3.53Å; Y21-S88 VanDerWaalsContact CA-O 3.24Å; Y21-S88 WeakPolarHBondContact CA-O 3.2Å; Y21-S88 WeakPolarHBondContact CB-O 3.32Å; Y21-S88 WeakPolarHBondContact CD1-O 3.34Å; Y22-S88 PolarHBondContact N-O 2.8Å; Y22-S88 PolarHBondContact O-N 2.82Å; H24-S88 PolarHBondContact NE2-OG 2.85Å
89Y83Confident84Confident96 Ų9664.7 Ų64.738%0.37631%0.311SS..EExtended strand (participates in β ladder)trans-81.7141.1-173.2-160.3-114.4000111.5D20 Y21 Y91D20-Y89 HydrophobicContact CB-CE2 4.29Å; D20-Y89 WeakPolarHBondContact O-CD2 3.47Å; Y21-Y89 AromaticContact CD1-CD2 3.95Å; Y21-Y89 HydrophobicContact CD1-CD2 3.95Å; Y21-Y89 HydrophobicContact CD2-CD2 4.42Å; Y21-Y89 AromaticContact CE1-CD2 3.49Å; Y21-Y89 HydrophobicContact CE1-CD2 3.49Å; Y21-Y89 VanDerWaalsContact CE1-CD2 3.49Å; Y21-Y89 HydrophobicContact CE1-CE2 4.38Å; Y21-Y89 HydrophobicContact CE1-CG 4.28Å; Y21-Y89 AromaticContact CE2-CD2 3.97Å; Y21-Y89 HydrophobicContact CE2-CD2 3.97Å; Y21-Y89 HydrophobicContact CE2-CE2 4.13Å; Y21-Y89 HydrophobicContact CG-CD2 4.4Å; Y21-Y89 AromaticContact CZ-CD2 3.48Å; Y21-Y89 VanDerWaalsContact CZ-CD2 3.48Å; Y21-Y89 AromaticContact CZ-CE2 3.92Å; Y89-Y91 VanDerWaalsContact C-N 3.3Å; Y89-Y91 HydrophobicContact CE1-CD2 4.43Å; Y89-Y91 PolarHBondContact O-N 3.18Å
90Y73.2Confident83.9Confident45 Ų4565.8 Ų65.818%0.17632%0.323CS..THydrogen-bonded Turntrans-61.7-34.8180-61.8-34.3000114.1K19 D20 Y21 Y22 D41K19-Y90 WeakPolarHBondContact O-CE2 3.26Å; K19-Y90 PolarHBondContact O-OH 2.92Å; K19-Y90 VanDerWaalsContact O-OH 3.13Å; D20-Y90 WeakPolarHBondContact O-CD2 3.44Å; Y21-Y90 PolarHBondContact O-OH 3.29Å; Y22-Y90 HydrophobicContact CD1-CD1 4.14Å; Y22-Y90 AromaticContact CD1-CE1 3.46Å; Y22-Y90 HydrophobicContact CD1-CE1 3.46Å; Y22-Y90 VanDerWaalsContact CD1-CE1 3.46Å; Y22-Y90 AromaticContact CD2-CD1 3.66Å; Y22-Y90 HydrophobicContact CD2-CD1 3.66Å; Y22-Y90 AromaticContact CD2-CE1 3.81Å; Y22-Y90 HydrophobicContact CD2-CE1 3.81Å; Y22-Y90 AromaticContact CE1-CD1 3.86Å; Y22-Y90 HydrophobicContact CE1-CD1 3.86Å; Y22-Y90 AromaticContact CE1-CE1 3.35Å; Y22-Y90 HydrophobicContact CE1-CE1 3.35Å; Y22-Y90 AromaticContact CE2-CD1 3.42Å; Y22-Y90 HydrophobicContact CE2-CD1 3.42Å; Y22-Y90 VanDerWaalsContact CE2-CD1 3.42Å; Y22-Y90 AromaticContact CE2-CE1 3.78Å; Y22-Y90 HydrophobicContact CE2-CE1 3.78Å; Y22-Y90 HydrophobicContact CG-CD1 4.01Å; Y22-Y90 AromaticContact CG-CE1 3.63Å; Y22-Y90 HydrophobicContact CG-CE1 3.63Å; Y22-Y90 AromaticContact CZ-CD1 3.48Å; Y22-Y90 VanDerWaalsContact CZ-CD1 3.48Å; Y22-Y90 AromaticContact CZ-CE1 3.52Å; Y22-Y90 VanDerWaalsContact N-CE1 3.28Å; D41-Y90 PolarHBondContact OD1-OH 3.12Å; D41-Y90 PolarHBondContact OD2-OH 3.15Å
91Y67.9Low83.8Confident202 Ų20270.6 Ų70.679%0.79235%0.352SS*.THydrogen-bonded Turntrans-118.420.4-167-58.1-74.6000114.5Y89Y89-Y91 VanDerWaalsContact C-N 3.3Å; Y89-Y91 HydrophobicContact CE1-CD2 4.43Å; Y89-Y91 PolarHBondContact O-N 3.18Å
92G60.9Low83.8Confident33 Ų3371.4 Ų71.434%0.3436%0.361SS..SBendtrans-156.9172.1-172.600000116.5R94G92-R94 VanDerWaalsContact C-N 3.29Å; G92-R94 PolarHBondContact O-N 2.81Å
93S58Low83.8Confident108 Ų10873 Ų7376%0.75537%0.371SS*.SBendtrans-80.19.6-172.654.10000116Y95S93-Y95 WeakPolarHBondContact O-CD2 3.17Å; S93-Y95 PolarHBondContact O-N 3.17Å
94R57.8Low83.7Confident182 Ų18277.5 Ų77.569%0.68740%0.399SS*.  trans-87.390.3179.9-70.8-164-176.3174.81.1110.4G92 D97G92-R94 VanDerWaalsContact C-N 3.29Å; G92-R94 PolarHBondContact O-N 2.81Å; R94-D97 WeakPolarHBondContact CA-OD2 3.48Å; R94-D97 WeakPolarHBondContact CB-OD2 3.05Å; R94-D97 VanDerWaalsContact CG-OD2 3.27Å; R94-D97 WeakPolarHBondContact CG-OD2 3.18Å
95Y66.1Low83.7Confident156 Ų15675.9 Ų75.961%0.61239%0.393SS*.BIsolated β-bridgetrans-100.2113.9175.5-61.1-76.3000108.7S93 D97S93-Y95 WeakPolarHBondContact O-CD2 3.17Å; S93-Y95 PolarHBondContact O-N 3.17Å; Y95-D97 VanDerWaalsContact C-N 3.32Å; Y95-D97 PolarHBondContact O-N 2.82Å
96F76.8Confident83.7Confident65 Ų6578.7 Ų78.729%0.28541%0.41SS..SBendtrans61.829.9166.9-56.1-81.4000116H24 T86 V98 W99H24-F96 HydrophobicContact CB-CE1 3.56Å; H24-F96 HydrophobicContact CB-CZ 4.12Å; H24-F96 AromaticContact CE1-CZ 3.82Å; H24-F96 AromaticContact CG-CE1 3.54Å; H24-F96 AromaticContact CG-CZ 3.66Å; H24-F96 AromaticContact ND1-CE1 3.83Å; H24-F96 AromaticContact ND1-CZ 3.44Å; H24-F96 WeakPolarHBondContact ND1-CZ 3.32Å; T86-F96 HydrophobicContact CG2-CD1 3.31Å; T86-F96 HydrophobicContact CG2-CE1 3.6Å; T86-F96 WeakPolarHBondContact OG1-CA 3.46Å; T86-F96 WeakPolarHBondContact OG1-CD1 3.32Å; F96-V98 VanDerWaalsContact C-N 3.29Å; F96-V98 PolarHBondContact O-N 3.39Å; F96-W99 HydrophobicContact CB-CZ2 4.07Å; F96-W99 HydrophobicContact CD1-CZ2 4.04Å; F96-W99 HydrophobicContact CG-CZ2 4.38Å; F96-W99 PolarHBondContact O-NE1 2.83Å
97D78.6Confident83.7Confident111 Ų11179 Ų7959%0.59441%0.412SS*.  trans-74-20.3-179.5-63-44.9000113.2R94 Y95R94-D97 WeakPolarHBondContact CA-OD2 3.48Å; R94-D97 WeakPolarHBondContact CB-OD2 3.05Å; R94-D97 VanDerWaalsContact CG-OD2 3.27Å; R94-D97 WeakPolarHBondContact CG-OD2 3.18Å; Y95-D97 VanDerWaalsContact C-N 3.32Å; Y95-D97 PolarHBondContact O-N 2.82Å
98V87.2Confident83.7Confident93 Ų9381.6 Ų81.656%0.56443%0.43SS*.  trans-127.6126.6-175.7-179.30000109.5T86 P87 F96T86-V98 VanDerWaalsContact CB-O 3.28Å; T86-V98 WeakPolarHBondContact CB-O 2.95Å; T86-V98 PolarHBondContact OG1-O 2.87Å; P87-V98 VanDerWaalsContact CD-O 3.29Å; P87-V98 WeakPolarHBondContact CD-O 3.47Å; F96-V98 VanDerWaalsContact C-N 3.29Å; F96-V98 PolarHBondContact O-N 3.39Å
99W93Very high83.5Confident97 Ų9788.3 Ų88.337%0.36748%0.478SS..  trans-118.8142.4179.4-69.267.2000110.5V26 L34 Y84 T86 F96V26-W99 HydrophobicContact CB-CH2 4.05Å; V26-W99 HydrophobicContact CB-CZ3 3.77Å; V26-W99 HydrophobicContact CG1-CH2 4.02Å; V26-W99 HydrophobicContact CG1-CZ3 3.96Å; V26-W99 HydrophobicContact CG2-CH2 3.75Å; V26-W99 HydrophobicContact CG2-CZ3 3.87Å; L34-W99 HydrophobicContact CD1-CH2 3.96Å; Y84-W99 HydrophobicContact CD1-CE3 4.33Å; Y84-W99 HydrophobicContact CD2-CZ3 4.42Å; Y84-W99 AromaticContact CG-CE3 3.92Å; Y84-W99 HydrophobicContact CG-CE3 3.92Å; Y84-W99 HydrophobicContact CG-CZ3 4.19Å; T86-W99 HydrophobicContact CG2-CD2 4.21Å; T86-W99 HydrophobicContact CG2-CE3 4.19Å; T86-W99 HydrophobicContact CG2-CH2 4.16Å; T86-W99 HydrophobicContact CG2-CZ2 4.17Å; T86-W99 HydrophobicContact CG2-CZ3 4.18Å; F96-W99 HydrophobicContact CB-CZ2 4.07Å; F96-W99 HydrophobicContact CD1-CZ2 4.04Å; F96-W99 HydrophobicContact CG-CZ2 4.38Å; F96-W99 PolarHBondContact O-NE1 2.83Å
100G94.1Very high83.5Confident27 Ų2788 Ų8828%0.27848%0.483SS..  trans-61.9160.516300000110.9Y84 C85 G102Y84-G100 WeakPolarHBondContact CD1-O 3.06Å; C85-G100 PolarHBondContact O-N 3.08Å; G100-G102 PolarHBondContact O-N 2.61Å
101T94.9Very high84Confident145 Ų14590.2 Ų90.289%0.8950%0.499SS*.  trans-64-15-179.255.30000114
102G96.1Very high84.9Confident21 Ų2184 Ų8422%0.21648%0.482CS..  trans86.1149.5-176.300000112.7Y83 G100Y83-G102 CarbonylContact O-C 3.57Å; Y83-G102 VanDerWaalsContact O-CA 3.27Å; Y83-G102 WeakPolarHBondContact O-CA 3.11Å; G100-G102 PolarHBondContact O-N 2.61Å
103T97.6Very high86.3Confident67 Ų6787 Ų8741%0.41149%0.491SS..EExtended strand (participates in β ladder)trans-122.1120.4175.6-60.20000109.3L9 Y83 V105L9-T103 HydrophobicContact CD2-CG2 3.96Å; Y83-T103 PolarHBondContact N-O 3.5Å; Y83-T103 PolarHBondContact O-N 3.13Å; T103-V105 PolarHBondContact O-N 3.45Å
104T97.4Very high88.1Confident98 Ų9885.7 Ų85.760%0.60147%0.474SS*.EExtended strand (participates in β ladder)trans-75.7120.8175-55.60000110.1
105V97.1Very high90.1Very high9 Ų979.3 Ų79.36%0.05546%0.46CS..EExtended strand (participates in β ladder)trans-107.5122.6168.11790000107.3V1 V7 L9 L75 T80 A81 Y83 T103 V107V1-V105 HydrophobicContact CG2-CG1 4.43Å; V7-V105 HydrophobicContact CG2-CG1 4.4Å; V7-V105 HydrophobicContact CG2-CG2 4.45Å; L9-V105 HydrophobicContact CD1-CG2 4.25Å; L9-V105 HydrophobicContact CD2-CG2 3.95Å; L75-V105 HydrophobicContact CD1-CG1 4.49Å; T80-V105 VanDerWaalsContact CA-O 3.25Å; T80-V105 WeakPolarHBondContact CA-O 3.41Å; A81-V105 PolarHBondContact N-O 2.95Å; A81-V105 PolarHBondContact O-N 2.96Å; Y83-V105 HydrophobicContact CD2-CB 3.96Å; Y83-V105 HydrophobicContact CD2-CG2 3.7Å; Y83-V105 HydrophobicContact CE2-CB 3.78Å; Y83-V105 HydrophobicContact CE2-CG2 3.93Å; T103-V105 PolarHBondContact O-N 3.45Å; V105-V107 HydrophobicContact CG1-CG2 4.25Å
106T96.8Very high91.8Very high73 Ų7373.8 Ų73.845%0.44845%0.449SS..  trans-113.2126.1175.3-54.90000109.5V1 T80V1-T106 PolarHBondContact N-O 3.39Å; T80-T106 HydrophobicContact CG2-CG2 4.25Å
107V96.1Very high93Very high7 Ų774.5 Ų74.54%0.04246%0.462CS..  trans-113110178.6-168.60000109.6V1 P3 L75 T76 D79 T80 V105V1-V107 HydrophobicContact CG2-CG2 3.97Å; V1-V107 VanDerWaalsContact O-CA 3.27Å; V1-V107 WeakPolarHBondContact O-CA 3.37Å; P3-V107 HydrophobicContact CG-CG1 4.19Å; L75-V107 HydrophobicContact CB-CG1 4.23Å; L75-V107 HydrophobicContact CB-CG2 4.02Å; L75-V107 HydrophobicContact CD1-CG2 4.24Å; T76-V107 WeakPolarHBondContact O-CB 3.16Å; T76-V107 WeakPolarHBondContact O-CG2 3.38Å; D79-V107 HydrophobicContact CB-CG2 4.17Å; T80-V107 PolarHBondContact OG1-N 2.78Å; T80-V107 PolarHBondContact OG1-O 3.41Å; V105-V107 HydrophobicContact CG1-CG2 4.25Å
108S93.7Very high94.2Very high71 Ų7171.4 Ų71.450%0.49745%0.451SS..  trans-145152.2-177.463.40000110.7V1V1-S108 PolarHBondContact O-N 2.62Å
109S86.3Confident94.8Very high149 Ų14969.5 Ų69.5100%1.04244%0.441SS*.  trans-68.20175.656.20000112.4

Retrieved 109 of 109 residues in 54.8 ms (Link to these results)

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